2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide

C23H30N4O2 — CID 131685651

IUPAC2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide
SMILESCc1cncc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N(C)Cc3ccccc3)C2)n1
InChIInChI=1S/C23H30N4O2/c1-17-11-24-12-20(25-17)15-27-9-8-21-19(14-27)16-29-22(21)10-23(28)26(2)13-18-6-4-3-5-7-18/h3-7,11-12,19,21-22H,8-10,13-16H2,1-2H3/t19-,21-,22+/m1/s1
InChIKeyPRDNCARDKKJFQK-FCEUIQTBSA-N
MW394.52 g/mol
LogP2.67
Rot. Bonds6

About 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide

2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide (PubChem CID 131685651) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide
PubChem CID131685651
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide
SMILESCc1cncc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N(C)Cc3ccccc3)C2)n1
InChIInChI=1S/C23H30N4O2/c1-17-11-24-12-20(25-17)15-27-9-8-21-19(14-27)16-29-22(21)10-23(28)26(2)13-18-6-4-3-5-7-18/h3-7,11-12,19,21-22H,8-10,13-16H2,1-2H3/t19-,21-,22+/m1/s1
InChIKeyPRDNCARDKKJFQK-FCEUIQTBSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,3aR,7aR)-5-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 131685552
2-[(1S,3aR,7aR)-5-[(3-methylphenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 131685427
1-[(1S,3aR,7aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylmethanamine
CID 97461771
1-[(1S,3aS,7aS)-5-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylmethanamine
CID 134690396
2-[(1R,3aR,7aR)-5-[(2-chlorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155843038
2-[(1R,3aR,7aR)-5-[(4-chloro-3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 97475452
2-[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 97475503
2-[(1S,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 97475451
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
1-[(1R,3aR,7aR)-5-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine;tris(2,2,2-trifluoroacetic acid)
CID 127022346
2-[(1S,3aR,7aR)-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-propan-2-ylacetamide
CID 131685568
2-[(1S,3aS,7aS)-5-(2-phenylethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 124787117

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide (CID 131685651) is 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide is Cc1cncc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N(C)Cc3ccccc3)C2)n1.
What is the InChIKey of 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide?
The InChIKey is PRDNCARDKKJFQK-FCEUIQTBSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-11-24-12-20(25-17)15-27-9-8-21-19(14-27)16-29-22(21)10-23(28)26(2)13-18-6-4-3-5-7-18/h3-7,11-12,19,21-22H,8-10,13-16H2,1-2H3/t19-,21-,22+/m1/s1.
What are the key properties of 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide?
2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3aR,7aR)-5-[(6-methylpyrazin-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 131685651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).